CID 73721210

3-(2,2-dimethylcyclopropyl)propan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CC1CCCO)C
InChI
InChI=1S/C8H16O/c1-8(2)6-7(8)4-3-5-9/h7,9H,3-6H2,1-2H3
InChIKey
ZTZQBYAROXVBCX-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylcyclopropyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 128.2
[M+Na]+ 151.10934 140.6
[M+NH4]+ 146.15394 138.8
[M+K]+ 167.08328 134.5
[M-H]- 127.11284 136.3
[M+Na-2H]- 149.09479 137.1
[M]+ 128.11957 133.5
[M]- 128.12067 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe